ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide

C7H14N4O — CID 157237046

IUPACethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CNC(=O)CC1=NCN=N1
InChIInChI=1S/C5H8N4O.C2H6/c1-6-5(10)2-4-7-3-8-9-4;1-2/h2-3H2,1H3,(H,6,10);1-2H3
InChIKeyAUTGNHYJCAYJQF-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.97
Rot. Bonds2

About ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide

ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide (PubChem CID 157237046) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
PubChem CID157237046
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Nameethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CNC(=O)CC1=NCN=N1
InChIInChI=1S/C5H8N4O.C2H6/c1-6-5(10)2-4-7-3-8-9-4;1-2/h2-3H2,1H3,(H,6,10);1-2H3
InChIKeyAUTGNHYJCAYJQF-UHFFFAOYSA-N
XLogP0.97
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide (CID 157237046) is ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide is CC.CNC(=O)CC1=NCN=N1.
What is the InChIKey of ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is AUTGNHYJCAYJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.C2H6/c1-6-5(10)2-4-7-3-8-9-4;1-2/h2-3H2,1H3,(H,6,10);1-2H3.
What are the key properties of ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 170.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 157237046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).